SCHEMBL22280447

SCHEMBL22280447

Brc1ccc(Br)c(Nc2ccc(-c3noc([C@@H]4CCNC4)n3)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR9 Q9NR96 4/20 0.41
TLR8 Q9NR97 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
IGF1R P08069 1/20 0.38
KIT P10721 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARA Q07869 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL22265295 0.99 NR1H4 (0.43) NR1H4NPC1RAB9AL3MBTL1TLR9
Hydrochloric Acid SCHEMBL22265296 0.99 NR1H4 (0.43) NR1H4NPC1RAB9AL3MBTL1TLR9
SCHEMBL22280558 0.81 NR1H4 (0.47) NR1H4TLR9TLR8TLR7MAOA
SCHEMBL22280448 0.81 NR1H4 (0.47) NR1H4TLR9TLR8TLR7MAOA
Hydrochloric Acid SCHEMBL22266080 0.80 NR1H4 (0.47) NR1H4TLR9TLR8TLR7MAOA
Hydrochloric Acid SCHEMBL22266083 0.80 NR1H4 (0.47) NR1H4TLR9TLR8TLR7MAOA
SCHEMBL22280267 0.80 NR1H4 (0.49) NR1H4NPC1RAB9AL3MBTL1TLR9
SCHEMBL22280331 0.80 NR1H4 (0.49) NR1H4NPC1RAB9AL3MBTL1TLR9
SCHEMBL22265471 0.79 HSD11B1 (0.44) NPC1RAB9AL3MBTL1
SCHEMBL22280442 0.79 NPC1 (0.48) NR1H4NPC1RAB9ATLR9TLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed